CID 135538130

19178-19-9

Structural Information

Molecular Formula
C8H10N2O
SMILES
C1CCC2=C(C1)C(=O)NC=N2
InChI
InChI=1S/C8H10N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h5H,1-4H2,(H,9,10,11)
InChIKey
VLGSBIJEQBQFCJ-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydro-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

82
Patents

150.07932 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.08660 128.9
[M+Na]+ 173.06854 137.0
[M-H]- 149.07204 129.1
[M+NH4]+ 168.11314 147.7
[M+K]+ 189.04248 133.6
[M+H-H2O]+ 133.07658 121.9
[M+HCOO]- 195.07752 147.1
[M+CH3COO]- 209.09317 141.4
[M+Na-2H]- 171.05399 137.7
[M]+ 150.07877 124.6
[M]- 150.07987 124.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe